N-methyl-2-(2-methylsulfonylphenyl)acetamide

C10H13NO3S — CID 110487093

IUPACN-methyl-2-(2-methylsulfonylphenyl)acetamide
SMILESCNC(=O)Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H13NO3S/c1-11-10(12)7-8-5-3-4-6-9(8)15(2,13)14/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyHPZHSUMIWZJYOX-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.38
Rot. Bonds3

About N-methyl-2-(2-methylsulfonylphenyl)acetamide

N-methyl-2-(2-methylsulfonylphenyl)acetamide (PubChem CID 110487093) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-methyl-2-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylsulfonylphenyl)acetamide
PubChem CID110487093
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-methyl-2-(2-methylsulfonylphenyl)acetamide
SMILESCNC(=O)Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H13NO3S/c1-11-10(12)7-8-5-3-4-6-9(8)15(2,13)14/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyHPZHSUMIWZJYOX-UHFFFAOYSA-N
XLogP0.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide
CID 110438351
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439305
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439306
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470575
1,1-dimethyl-3-[(2-methylsulfonylphenyl)methyl]urea
CID 110470450
2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479076
N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide
CID 82558127
N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of N-methyl-2-(2-methylsulfonylphenyl)acetamide (CID 110487093) is N-methyl-2-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-methyl-2-(2-methylsulfonylphenyl)acetamide is CNC(=O)Cc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-2-(2-methylsulfonylphenyl)acetamide?
The InChIKey is HPZHSUMIWZJYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-11-10(12)7-8-5-3-4-6-9(8)15(2,13)14/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of N-methyl-2-(2-methylsulfonylphenyl)acetamide?
N-methyl-2-(2-methylsulfonylphenyl)acetamide has a molecular weight of 227.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110487093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).